N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C10H16BrN3O — CID 114308825

IUPACN-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)Br)n(C)n1
InChIInChI=1S/C10H16BrN3O/c1-4-8-5-9(14(3)13-8)10(15)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyRYKJZTLNJHRPSH-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.50
Rot. Bonds4

About N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 114308825) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID114308825
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)Br)n(C)n1
InChIInChI=1S/C10H16BrN3O/c1-4-8-5-9(14(3)13-8)10(15)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyRYKJZTLNJHRPSH-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-bromo-2-cyclopropylethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114315903
N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79547185
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
N-(3-bromo-4-methoxybutyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106245148
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 114308825) is N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC(C)Br)n(C)n1.
What is the InChIKey of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is RYKJZTLNJHRPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-8-5-9(14(3)13-8)10(15)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,15).
What are the key properties of N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114308825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).